4-[[4-(2-amino-2-oxoethyl)-3-oxopiperazine-1-carbonyl]amino]-5-phenylpentanoic acid

C18H24N4O5 — CID 122027397

IUPAC4-[[4-(2-amino-2-oxoethyl)-3-oxopiperazine-1-carbonyl]amino]-5-phenylpentanoic acid
SMILESNC(=O)CN1CCN(C(=O)NC(CCC(=O)O)Cc2ccccc2)CC1=O
InChIInChI=1S/C18H24N4O5/c19-15(23)11-21-8-9-22(12-16(21)24)18(27)20-14(6-7-17(25)26)10-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H2,19,23)(H,20,27)(H,25,26)
InChIKeyKKBMWSOLTYKMBS-UHFFFAOYSA-N
MW376.41 g/mol
LogP-0.20
Rot. Bonds8

About 4-[[4-(2-amino-2-oxoethyl)-3-oxopiperazine-1-carbonyl]amino]-5-phenylpentanoic acid

4-[[4-(2-amino-2-oxoethyl)-3-oxopiperazine-1-carbonyl]amino]-5-phenylpentanoic acid (PubChem CID 122027397) has the molecular formula C18H24N4O5 and a molecular weight of 376.41 g/mol. Its IUPAC name is 4-[[4-(2-amino-2-oxoethyl)-3-oxopiperazine-1-carbonyl]amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[[4-(2-amino-2-oxoethyl)-3-oxopiperazine-1-carbonyl]amino]-5-phenylpentanoic acid
PubChem CID122027397
Molecular FormulaC18H24N4O5
Molecular Weight376.41 g/mol
Exact Mass376.17
IUPAC Name4-[[4-(2-amino-2-oxoethyl)-3-oxopiperazine-1-carbonyl]amino]-5-phenylpentanoic acid
SMILESNC(=O)CN1CCN(C(=O)NC(CCC(=O)O)Cc2ccccc2)CC1=O
InChIInChI=1S/C18H24N4O5/c19-15(23)11-21-8-9-22(12-16(21)24)18(27)20-14(6-7-17(25)26)10-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H2,19,23)(H,20,27)(H,25,26)
InChIKeyKKBMWSOLTYKMBS-UHFFFAOYSA-N
XLogP-0.20
TPSA133.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(2-methoxyethyl)-3-oxo-1,4-diazepane-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122028017
4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)-5-phenylpentanoic acid
CID 122027205
4-[(3-methylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 120728792
4-[(5-oxo-1,4-diazepane-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027125
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-5-phenylpentanoic acid
CID 122027700
4-[(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)amino]-5-phenylpentanoic acid
CID 122027724
5-phenyl-4-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]pentanoic acid
CID 122028048
4-[(7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]-5-phenylpentanoic acid
CID 122027119
4-[(2,2-dimethylthiomorpholine-4-carbonyl)amino]-5-phenylpentanoic acid
CID 122027723
4-[(5-fluoro-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]-5-phenylpentanoic acid
CID 122028253
4-[(4-methylazepane-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027118
4-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122028159

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-amino-2-oxoethyl)-3-oxopiperazine-1-carbonyl]amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[[4-(2-amino-2-oxoethyl)-3-oxopiperazine-1-carbonyl]amino]-5-phenylpentanoic acid (CID 122027397) is 4-[[4-(2-amino-2-oxoethyl)-3-oxopiperazine-1-carbonyl]amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[[4-(2-amino-2-oxoethyl)-3-oxopiperazine-1-carbonyl]amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[[4-(2-amino-2-oxoethyl)-3-oxopiperazine-1-carbonyl]amino]-5-phenylpentanoic acid is NC(=O)CN1CCN(C(=O)NC(CCC(=O)O)Cc2ccccc2)CC1=O.
What is the InChIKey of 4-[[4-(2-amino-2-oxoethyl)-3-oxopiperazine-1-carbonyl]amino]-5-phenylpentanoic acid?
The InChIKey is KKBMWSOLTYKMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O5/c19-15(23)11-21-8-9-22(12-16(21)24)18(27)20-14(6-7-17(25)26)10-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H2,19,23)(H,20,27)(H,25,26).
What are the key properties of 4-[[4-(2-amino-2-oxoethyl)-3-oxopiperazine-1-carbonyl]amino]-5-phenylpentanoic acid?
4-[[4-(2-amino-2-oxoethyl)-3-oxopiperazine-1-carbonyl]amino]-5-phenylpentanoic acid has a molecular weight of 376.41 g/mol, XLogP of -0.20, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-amino-2-oxoethyl)-3-oxopiperazine-1-carbonyl]amino]-5-phenylpentanoic acid is sourced from PubChem (CID 122027397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).